2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C8H8ClNO2 — CID 137052044

IUPAC2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cccc(Cl)c1O
InChIInChI=1S/C8H8ClNO2/c1-5(10-12)6-3-2-4-7(9)8(6)11/h2-4,11-12H,1H3/b10-5+
InChIKeyDPIVTBNBNAIIHW-BJMVGYQFSA-N
MW185.61 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 137052044) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID137052044
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cccc(Cl)c1O
InChIInChI=1S/C8H8ClNO2/c1-5(10-12)6-3-2-4-7(9)8(6)11/h2-4,11-12H,1H3/b10-5+
InChIKeyDPIVTBNBNAIIHW-BJMVGYQFSA-N
XLogP2.24
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol
CID 135430304
2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol
CID 82081704
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137139850
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine
CID 164677566
(E)-1-(3-chloro-2-hydroxyphenyl)but-2-en-1-one
CID 131238884
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
3-chlorobenzene-1,2-diol;hydroiodide
CID 70006724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 137052044) is 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is DPIVTBNBNAIIHW-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5(10-12)6-3-2-4-7(9)8(6)11/h2-4,11-12H,1H3/b10-5+.
What are the key properties of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 185.61 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 137052044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).